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SMILES: CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=STNUMIXTEYJQRS-DHZHZOJOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058311   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50058311
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-((E)-3-p...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H24N2O2S/c1-4-20-21(26)24-23(27)25(12-8-11-18-9-6-5-7-10-18)22(20)28-19-14-16(2)13-17(3)15-19/h5-11,13-15H,4,12H2,1-3H3,(H,24,26,27)/b11-8+
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PC cid
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Similars
Article
PubMed
n/an/an/an/a 39n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase

J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair